2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol

C11H24N2O — CID 134480080

IUPAC2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol
SMILESC=C(CCN(CC)CCO)NCCC
InChIInChI=1S/C11H24N2O/c1-4-7-12-11(3)6-8-13(5-2)9-10-14/h12,14H,3-10H2,1-2H3
InChIKeyVZJVTAZERNQVSX-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.20
Rot. Bonds9

About 2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol

2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol (PubChem CID 134480080) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol
PubChem CID134480080
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol
SMILESC=C(CCN(CC)CCO)NCCC
InChIInChI=1S/C11H24N2O/c1-4-7-12-11(3)6-8-13(5-2)9-10-14/h12,14H,3-10H2,1-2H3
InChIKeyVZJVTAZERNQVSX-UHFFFAOYSA-N
XLogP1.20
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol?
The IUPAC name of 2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol (CID 134480080) is 2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol.
What is the SMILES notation for 2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol?
The canonical SMILES for 2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol is C=C(CCN(CC)CCO)NCCC.
What is the InChIKey of 2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol?
The InChIKey is VZJVTAZERNQVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-7-12-11(3)6-8-13(5-2)9-10-14/h12,14H,3-10H2,1-2H3.
What are the key properties of 2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol?
2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol has a molecular weight of 200.33 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(propylamino)but-3-enyl]amino]ethanol is sourced from PubChem (CID 134480080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).